CHEBI:140224 - (16S,17S)-epoxy-(7Z,10Z,12E,14E,19Z)-docosapentaenoic acid

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ChEBI Name (16S,17S)-epoxy-(7Z,10Z,12E,14E,19Z)-docosapentaenoic acid
ChEBI ID CHEBI:140224
ChEBI ASCII Name (16S,17S)-epoxy-(7Z,10Z,12E,14E,19Z)-docosapentaenoic acid
Definition A (4Z,7Z,10Z,13Z,19Z)-16,17-epoxydocosapentaenoic acid in which the chiral centres at positions 16 and 17 both have S-configuration. An intermediate of specialized proresolving mediators
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Bijay
Supplier Information ZINC000030729497
Download Molfile XML SDF
Formula C22H32O3
Net Charge 0
Average Mass 344.489
Monoisotopic Mass 344.23514
InChI InChI=1S/C22H32O3/c1-2-3-14-17-20-21(25-20)18-15-12-10-8-6-4-5-7-9-11-13-16-19-22(23)24/h3,5-8,10,12,14-15,18,20-21H,2,4,9,11,13,16-17,19H2,1H3,(H,23,24)/b7-5-,8-6-,12-10+,14-3-,18-15+/t20-,21-/m0/s1
InChIKey AVAZFRKFZXNPMT-HWOJEQMHSA-N
SMILES OC(CCCCC/C=C\C/C=C\C=C\C=C\[C@@H]1O[C@H]1C/C=C\CC)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via (4Z,7Z,10Z,13Z,19Z)-16,17-epoxydocosapentaenoic acid )
(via epoxydocosapentaenoic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (16S,17S)-epoxy-(7Z,10Z,12E,14E,19Z)-docosapentaenoic acid (CHEBI:140224) has role human xenobiotic metabolite (CHEBI:76967)
(16S,17S)-epoxy-(7Z,10Z,12E,14E,19Z)-docosapentaenoic acid (CHEBI:140224) is a (4Z,7Z,10Z,13Z,19Z)-16,17-epoxydocosapentaenoic acid (CHEBI:72855)
(16S,17S)-epoxy-(7Z,10Z,12E,14E,19Z)-docosapentaenoic acid (CHEBI:140224) is conjugate acid of (16S,17S)-epoxy-(7Z,10Z,12E,14E,19Z)-docosapentaenoate (CHEBI:140290)
Incoming (16S,17S)-epoxy-(7Z,10Z,12E,14E,19Z)-docosapentaenoate (CHEBI:140290) is conjugate base of (16S,17S)-epoxy-(7Z,10Z,12E,14E,19Z)-docosapentaenoic acid (CHEBI:140224)
IUPAC Name
(7Z,10Z,12E,14E)-15-{(2S,3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}pentadeca-7,10,12,14-tetraenoic acid
Synonyms Sources
(16S,17S)-epoxy-(7Z,10Z,12E,14E,19Z)-docosa-7,10,12,14,19-pentaenoic acid ChEBI
16(S),17(S)-epoxy-DPA(n−3) SUBMITTER
16(S),17(S)-epoxy-ω−3-docosapentaenoic acid ChEBI
Registry Number Type Source
31878856 Reaxys Registry Number Reaxys
Citation Type Source
23736886 PubMed citation Europe PMC
Last Modified
28 February 2018